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[4-(Methoxymethyl)Phenyl]Methyl 2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)Cyclopropanecarboxylate
CAS: 34388-29-9 | C19H26O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34388-29-9
Molecular Formula:
C19H26O3
Molecular Mass:
302.41 g/mol
Names and Synonyms:
[4-(Methoxymethyl)Phenyl]Methyl 2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)Cyclopropanecarboxylate
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [4-(methoxymethyl)phenyl]methyl ester
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, p-(methoxymethyl)benzyl ester
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, [4-(methoxymethyl)phenyl]methyl ester
[4-(Methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
4-(Methoxymethyl)benzyl chrysanthemate
4-(Methyloxymethyl)benzyl chrysanthemummonocarboxylate
Identifiers:
SMILES:
COCc1ccc(COC(=O)C2C(C=C(C)C)C2(C)C)cc1
InChI:
InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.41 g/mol | CAS Common Chemistry |
| 302.41400000000004 g/mol | RDKit | |
| 302.18819469199997 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1=CC=C(C=C1)COC)C2C(C=C(C)C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GQNBIMLHUAWKHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [4-(Methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 4.114600000000004 | RDKit |
| Molar Refractivity | 87.14300000000006 | RDKit |
